1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione

C21H15FN2O2 — CID 7286783

IUPAC1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
SMILESO=c1c(=O)n(-c2cccc3ccccc23)ccn1Cc1cccc(F)c1
InChIInChI=1S/C21H15FN2O2/c22-17-8-3-5-15(13-17)14-23-11-12-24(21(26)20(23)25)19-10-4-7-16-6-1-2-9-18(16)19/h1-13H,14H2
InChIKeyHLVRIWZTXOYZTJ-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.34
Rot. Bonds3

About 1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione

1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione (PubChem CID 7286783) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
PubChem CID7286783
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC Name1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
SMILESO=c1c(=O)n(-c2cccc3ccccc23)ccn1Cc1cccc(F)c1
InChIInChI=1S/C21H15FN2O2/c22-17-8-3-5-15(13-17)14-23-11-12-24(21(26)20(23)25)19-10-4-7-16-6-1-2-9-18(16)19/h1-13H,14H2
InChIKeyHLVRIWZTXOYZTJ-UHFFFAOYSA-N
XLogP3.34
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[(3-chlorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione
CID 7286772
1-(3,4-dimethoxyphenyl)-4-[(3-fluorophenyl)methyl]pyrazine-2,3-dione
CID 7286781
3-amino-1-[(3-fluorophenyl)methyl]pyridin-2-one
CID 62101796
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
CID 96600000
1-(2-methoxyphenyl)-4-[(3-methylphenyl)methyl]pyrazine-2,3-dione
CID 7286758
3-[(3-fluorophenyl)methyl]-1,3-thiazol-2-one
CID 115646822
N-benzyl-2-[4-(3-fluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
CID 30564325
1-[(3,4-difluorophenyl)methyl]-4-phenylpyrazine-2,3-dione
CID 95921598
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
1-benzyl-4-(3,4-difluorophenyl)pyrazine-2,3-dione
CID 22520496
3-bromo-1-[(3-fluorophenyl)methyl]-4-phenylpyridin-2-one
CID 71201156
2-[(4-fluorophenyl)methyl]isoquinolin-1-one
CID 9354445

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione (CID 7286783) is 1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione is O=c1c(=O)n(-c2cccc3ccccc23)ccn1Cc1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione?
The InChIKey is HLVRIWZTXOYZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-17-8-3-5-15(13-17)14-23-11-12-24(21(26)20(23)25)19-10-4-7-16-6-1-2-9-18(16)19/h1-13H,14H2.
What are the key properties of 1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione?
1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione has a molecular weight of 346.36 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-4-naphthalen-1-ylpyrazine-2,3-dione is sourced from PubChem (CID 7286783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).